2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine

C14H29NO — CID 62444537

IUPAC2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OC1CCCCC1C
InChIInChI=1S/C14H29NO/c1-5-13(10-15-11(2)3)16-14-9-7-6-8-12(14)4/h11-15H,5-10H2,1-4H3
InChIKeyORHDYAFLEBSLLM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine

2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine (PubChem CID 62444537) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
PubChem CID62444537
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)OC1CCCCC1C
InChIInChI=1S/C14H29NO/c1-5-13(10-15-11(2)3)16-14-9-7-6-8-12(14)4/h11-15H,5-10H2,1-4H3
InChIKeyORHDYAFLEBSLLM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine (CID 62444537) is 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)OC1CCCCC1C.
What is the InChIKey of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine?
The InChIKey is ORHDYAFLEBSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-13(10-15-11(2)3)16-14-9-7-6-8-12(14)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine?
2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62444537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).